calcium 12-acetyloxyoctadecanoate

Systemtic Name: calcium 12-acetyloxyoctadecanoate Openeye Name: calcium 12-acetoxyoctadecanoate CAS Name: calcium 12-acetyloxyoctadecanoate IUPAC Name: calcium 12-acetyloxyoctadecanoate Traditional Name: calcium 12-acetoxystearate Formula: C40H74CaO8 MolecularWeight: 723.08876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.[Ca+2]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.[Ca+2]

InChI

InChI=1S/2C20H38O4.Ca/c2*1-3-4-5-12-15-19(24-18(2)21)16-13-10-8-6-7-9-11-14-17-20(22)23;/h2*19H,3-17H2,1-2H3,(H,22,23);/q;;+2/p-2